5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one

C22H15F4NO — CID 143785636

IUPAC5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(F)cc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C22H15F4NO/c1-22(11-12-6-15(23)10-16(24)7-12)17-8-13(3-5-20(17)27-21(22)28)14-2-4-18(25)19(26)9-14/h2-10H,11H2,1H3,(H,27,28)
InChIKeyDMDUMTMDXHYYSS-UHFFFAOYSA-N
MW385.36 g/mol
LogP5.36
Rot. Bonds3

About 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one

5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one (PubChem CID 143785636) has the molecular formula C22H15F4NO and a molecular weight of 385.36 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one
PubChem CID143785636
Molecular FormulaC22H15F4NO
Molecular Weight385.36 g/mol
Exact Mass385.11
IUPAC Name5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(F)cc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C22H15F4NO/c1-22(11-12-6-15(23)10-16(24)7-12)17-8-13(3-5-20(17)27-21(22)28)14-2-4-18(25)19(26)9-14/h2-10H,11H2,1H3,(H,27,28)
InChIKeyDMDUMTMDXHYYSS-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.36
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one (CID 143785636) is 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one is CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one?
The InChIKey is DMDUMTMDXHYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4NO/c1-22(11-12-6-15(23)10-16(24)7-12)17-8-13(3-5-20(17)27-21(22)28)14-2-4-18(25)19(26)9-14/h2-10H,11H2,1H3,(H,27,28).
What are the key properties of 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one?
5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one has a molecular weight of 385.36 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 143785636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).